Molecule FYI-1001449

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A

Molecule Summary:

ID: FYI-1001449
SMILES: C1=C(OC(=C1)[N+](=O)[O-])C=CC(=NN=C(N)N)C=CC2=CC=C(O2)[N+](=O)[O-]

Received at FYIcenter.com on: 2022-07-28

Molecule ID: FYI-1001449 Edit

Molecule Structure SMILES String: C1=C(OC(=C1)[N+](=O)[O-])C=CC(=NN=C(N)N)C=CC2=CC=C(O2)[N+](=O)[O-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1001449
FYIcenter.com

 26 27  0  0  0  0  0  0  0  0999 V2000
    8.6334   10.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7660    8.1966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    9.2370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0029   10.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0952    9.0907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6646    7.8116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9181   10.2233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    8.7660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    8.0660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.1660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.0660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    5.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.5660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5048    3.7431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9374    2.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3374    2.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7700    3.7431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1603    1.2789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5908    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5526    1.4253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  2  0  0  0  0
  9  2  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 11  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 23 19  1  0  0  0  0
 24 22  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001449-3D
FYIcenter.com

 38 39  0  0  0  0  0  0  0  0999 V2000
    1.2901    0.6435   -0.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8493    1.8040   -0.6011 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0340    1.4372   -1.2153 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1907    0.1005   -1.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1507   -0.4476   -0.3555 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3651   -0.4785   -1.6295 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5016   -1.7003   -1.4805 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1515    0.2699   -2.2238 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4206    3.1634   -0.5947 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2754    3.5798   -0.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1683    5.0201   -0.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4040    5.4254    0.0678 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3418    4.3814    0.0398 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5730    4.7907    0.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9850    6.0817    0.0584 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6061    3.9236   -0.0413 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9451    6.0198   -0.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7907    7.2194   -0.6140 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8711    8.1462   -0.6662 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8972    9.4196   -1.2344 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1944    9.9642   -1.0557 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8952    8.9950   -0.3874 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1286    7.9024   -0.1434 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2456    8.9477    0.0779 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.9373    9.9504   -0.1508 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6215    7.9268    0.6660 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.3594    0.5887    0.4861 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0276   -1.4892   -0.0902 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0866    3.8623   -1.0944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4287    2.8922    0.4207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1876    6.6768    0.2693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7758    6.2771    0.6535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3376    2.9604    0.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4816    4.1896    0.3804 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8827    5.7216    0.4227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1546    7.4964   -1.0733 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0614    9.8979   -1.7289 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5657   10.9297   -1.3721 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  5  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9 10  2  3  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  2  3  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  2  3  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
 19 20  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 20 37  1  0  0  0  0
 21 22  2  0  0  0  0
 21 38  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-08-27, 1826👍, 0💬